Abstract
The conventional Ewald expression for the electrostatic energy and forces is recast in a form that can be evaluated to high accuracy in order N log(N) steps using fast Fourier transforms. The fast Fourier Poisson method does not rely on interpolation approaches or Taylor/multipole expansions, and can be easily integrated with conventional molecular dynamics algorithms.
Original language | English (US) |
---|---|
Pages (from-to) | 3298-3300 |
Number of pages | 3 |
Journal | The Journal of Chemical Physics |
Volume | 101 |
Issue number | 4 |
DOIs | |
State | Published - 1994 |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry